CID 160415

Diphoxazide

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CC(=O)NNC(=O)CC(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C17H18N2O3/c1-13(20)18-19-16(21)12-17(22,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,22H,12H2,1H3,(H,18,20)(H,19,21)
InChIKey
ZLPKTCYXMOJGBC-UHFFFAOYSA-N
Compound name
N'-acetyl-3-hydroxy-3,3-diphenylpropanehydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

298.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 169.1
[M+Na]+ 321.12096 172.6
[M-H]- 297.12446 173.9
[M+NH4]+ 316.16556 182.2
[M+K]+ 337.09490 169.3
[M+H-H2O]+ 281.12900 161.2
[M+HCOO]- 343.12994 190.5
[M+CH3COO]- 357.14559 203.2
[M+Na-2H]- 319.10641 174.5
[M]+ 298.13119 166.8
[M]- 298.13229 166.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe